5-(3-ethoxypropyl)-6-phenyl-phenanthridin-5-ium-3,8-diamine; methanesulfonate

Systemtic Name: 5-(3-ethoxypropyl)-6-phenyl-phenanthridin-5-ium-3,8-diamine; methanesulfonate Openeye Name: 5-(3-ethoxypropyl)-6-phenyl-phenanthridin-5-ium-3,8-diamine; methanesulfonate CAS Name: 5-(3-ethoxypropyl)-6-phenylphenanthridin-5-ium-3,8-diamine; methanesulfonate IUPAC Name: 5-(3-ethoxypropyl)-6-phenylphenanthridin-5-ium-3,8-diamine; methanesulfonate Traditional Name: [3-amino-5-(3-ethoxypropyl)-6-phenyl-phenanthridin-5-ium-8-yl]amine mesylate Formula: C25H29N3O4S MolecularWeight: 467.58046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.CS(=O)(=O)[O-]

Isomeric SMILES

CCOCCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.CS(=O)(=O)[O-]

InChI

InChI=1S/C24H25N3O.CH4O3S/c1-2-28-14-6-13-27-23-16-19(26)10-12-21(23)20-11-9-18(25)15-22(20)24(27)17-7-4-3-5-8-17;1-5(2,3)4/h3-5,7-12,15-16,26H,2,6,13-14,25H2,1H3;1H3,(H,2,3,4)